(3-Isothiocyanatopropyl)Benzene

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Properties Simple | Detailed

Formula C10H11NS
IUPAC Name 3-isothiocyanatopropylbenzene
Molecular Mass 177.266 g·mol−1
Heat of Formation 190.2 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 228.91 Å 3
Surface Area 225.64 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-phenylpropyl isothiocyanate
  • 3-phenylpropyl isothiocynate
  • benzene, (3-isothiocyanatopropyl)-
  • phenylpropyl isothiocyanate
CAS Number(s)
  • 2627-27-2
InChIKey GRUOGLPIAPZLHJ-UHFFFAOYSA-N
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